3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one

C15H15NO3 — CID 159607116

IUPAC3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one
SMILESCCC(=O)c1[nH]ccc(=O)c1OCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-12(17)14-15(13(18)8-9-16-14)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyPBZMWOKWVKFWGJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.55
Rot. Bonds5

About 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one

3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one (PubChem CID 159607116) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one
PubChem CID159607116
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one
SMILESCCC(=O)c1[nH]ccc(=O)c1OCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-12(17)14-15(13(18)8-9-16-14)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyPBZMWOKWVKFWGJ-UHFFFAOYSA-N
XLogP2.55
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
CID 145314511
ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate
CID 58067176
2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one
CID 159751274
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217
1-(3-chloro-1H-pyrrol-2-yl)propan-1-one
CID 167492844
8-methoxy-6-phenylmethoxy-1H-quinolin-4-one
CID 15675252
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
2-methyl-3-phenylmethoxypyran-4-one
CID 1490119
5-formyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 88863108

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one?
The IUPAC name of 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one (CID 159607116) is 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one.
What is the SMILES notation for 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one?
The canonical SMILES for 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one is CCC(=O)c1[nH]ccc(=O)c1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one?
The InChIKey is PBZMWOKWVKFWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-12(17)14-15(13(18)8-9-16-14)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,18).
What are the key properties of 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one?
3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one has a molecular weight of 257.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one is sourced from PubChem (CID 159607116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).